(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone

C13H14N2O2 — CID 114972656

IUPAC(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccnn1C
InChIInChI=1S/C13H14N2O2/c1-9-4-5-12(17-3)10(8-9)13(16)11-6-7-14-15(11)2/h4-8H,1-3H3
InChIKeyVMHFKXFZFPFWGD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.97
Rot. Bonds3

About (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone

(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone (PubChem CID 114972656) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
PubChem CID114972656
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone
SMILESCOc1ccc(C)cc1C(=O)c1ccnn1C
InChIInChI=1S/C13H14N2O2/c1-9-4-5-12(17-3)10(8-9)13(16)11-6-7-14-15(11)2/h4-8H,1-3H3
InChIKeyVMHFKXFZFPFWGD-UHFFFAOYSA-N
XLogP1.97
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpyrazol-3-yl)-(2-methoxy-5-methylphenyl)methanone
CID 114972499
(2-methylpyrazol-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 114972609
(3-bromo-4-methoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 114972670
(2-methoxy-5-methylphenyl)-(1-methylpyrazol-3-yl)methanone
CID 65195748
4-(2-methoxy-5-methylbenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 62505239
(4,5-dichloro-2,3-dimethoxyphenyl)-(2-methylpyrazol-3-yl)methanone
CID 15052556
(2-methylpyrazol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 114972636
(1,5-dimethylpyrazol-4-yl)-(2-methylpyrazol-3-yl)methanone
CID 105100479
2-(3,4-dimethoxyphenyl)-1-(2-methylpyrazol-3-yl)ethanone
CID 63960954
(2,5-dimethoxyphenyl)-(2,5-dimethylpyrazol-3-yl)methanone
CID 105098356
(2-methoxy-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 43626038
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone (CID 114972656) is (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone is COc1ccc(C)cc1C(=O)c1ccnn1C.
What is the InChIKey of (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone?
The InChIKey is VMHFKXFZFPFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-4-5-12(17-3)10(8-9)13(16)11-6-7-14-15(11)2/h4-8H,1-3H3.
What are the key properties of (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone?
(2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone has a molecular weight of 230.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-5-methylphenyl)-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 114972656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).